6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H12Br2FNO — CID 43777607

IUPAC6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccc(Br)cc1NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H12Br2FNO/c16-9-2-4-15-11(7-9)13(5-6-20-15)19-14-8-10(17)1-3-12(14)18/h1-4,7-8,13,19H,5-6H2
InChIKeyDEZMUTCRFMPCQT-UHFFFAOYSA-N
MW401.07 g/mol
LogP5.29
Rot. Bonds2

About 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43777607) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43777607
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccc(Br)cc1NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H12Br2FNO/c16-9-2-4-15-11(7-9)13(5-6-20-15)19-14-8-10(17)1-3-12(14)18/h1-4,7-8,13,19H,5-6H2
InChIKeyDEZMUTCRFMPCQT-UHFFFAOYSA-N
XLogP5.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.07
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-fluorobenzonitrile
CID 62316798
6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43765929
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
6-bromo-N-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 62871864
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol
CID 107700924
6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43777607) is 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is Fc1ccc(Br)cc1NC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DEZMUTCRFMPCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c16-9-2-4-15-11(7-9)13(5-6-20-15)19-14-8-10(17)1-3-12(14)18/h1-4,7-8,13,19H,5-6H2.
What are the key properties of 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 401.07 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43777607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).